2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine

C14H17N3O — CID 55232938

IUPAC2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCc2cccnc2)ccc1N
InChIInChI=1S/C14H17N3O/c1-2-18-14-8-12(5-6-13(14)15)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10,15H2,1H3
InChIKeyBLOPMZFNBVZSBK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.67
Rot. Bonds5

About 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine

2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine (PubChem CID 55232938) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
PubChem CID55232938
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCc2cccnc2)ccc1N
InChIInChI=1S/C14H17N3O/c1-2-18-14-8-12(5-6-13(14)15)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10,15H2,1H3
InChIKeyBLOPMZFNBVZSBK-UHFFFAOYSA-N
XLogP2.67
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 82741640
[2-amino-4-(pyridin-3-ylmethylamino)phenyl] acetate
CID 57138874
2-ethoxy-4-N-(1,2-oxazol-3-ylmethyl)benzene-1,4-diamine
CID 81170745
2-ethoxy-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 63678191
2-amino-N-methyl-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 80645584
2-ethoxy-4-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzene-1,4-diamine
CID 63675675
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
3-ethoxy-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 80724171
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
2-ethoxy-4-N-[(1-methylpyrazol-3-yl)methyl]benzene-1,4-diamine
CID 82882547
4-N-[(4-methyl-3-pyridinyl)methyl]-2-propoxybenzene-1,4-diamine
CID 114954604

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine (CID 55232938) is 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine is CCOc1cc(NCc2cccnc2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine?
The InChIKey is BLOPMZFNBVZSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-14-8-12(5-6-13(14)15)17-10-11-4-3-7-16-9-11/h3-9,17H,2,10,15H2,1H3.
What are the key properties of 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine?
2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine has a molecular weight of 243.31 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(pyridin-3-ylmethyl)benzene-1,4-diamine is sourced from PubChem (CID 55232938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).